CID 154814302

1,8-dioxaspiro[4.5]dec-3-ene

Structural Information

Molecular Formula
C8H12O2
SMILES
C1COCCC12C=CCO2
InChI
InChI=1S/C8H12O2/c1-2-8(10-5-1)3-6-9-7-4-8/h1-2H,3-7H2
InChIKey
IBIFJCZSACVJGE-UHFFFAOYSA-N
Compound name
1,8-dioxaspiro[4.5]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 126.8
[M+Na]+ 163.07294 132.7
[M-H]- 139.07644 133.1
[M+NH4]+ 158.11754 149.3
[M+K]+ 179.04688 134.2
[M+H-H2O]+ 123.08098 122.0
[M+HCOO]- 185.08192 146.8
[M+CH3COO]- 199.09757 140.8
[M+Na-2H]- 161.05839 135.7
[M]+ 140.08317 123.6
[M]- 140.08427 123.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.